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6-(hydroxymethyl)dithiine-3-carbonitrile

6-(hydroxymethyl)dithiine-3-carbonitrile structure

CAS No:
165405-03-8
Formula:
C6H5NOS2
Chemical Name:
6-(hydroxymethyl)dithiine-3-carbonitrile
Synonyms:
6-(hydroxymethyl)dithiine-3-carbonitrile;1,2-Dithiin-3-carbonitrile, 6-(hydroxymethyl)-;165405-03-8;CHEMBL88186;SCHEMBL9075820;3-Hydroxymethyl-6-ethynyl-1,2-dithiin

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6-(hydroxymethyl)dithiine-3-carbonitrile Basic Attributes

Molecular Weight：

171.2 g/mol

Exact Mass：

170.98125613 g/mol

Characteristics

PSA：

94.6 Å²

Computed Properties

Molecular Weight:171.2
XLogP3:0.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:170.98125613
Monoisotopic Mass:170.98125613
Topological Polar Surface Area:94.6
Heavy Atom Count:10
Complexity:235
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 6-(hydroxymethyl)dithiine-3-carbonitrile

Basic Attributes
Characteristics
Computed Properties

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